Glycoside
...
GD122441

Name:
10-({3-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:
C52H82O20

Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(OC7OC(CO)C(O)C(OC8OC(C)C(O)C(O)C8O)C7O)C6O)C(C)(C)C5CCC43C)C2C1

Aglycone:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)C(CO)OC(OC3C(O)C(C)OC(OC4C(O)OCC(O)C4O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 11 FractionCSP3: 0.9
AlogP: 0.75 Num_rotatable_bonds: 10
MolWt: 1027.21 Num_heavy_atoms: 72
TPSA: 313.44 NumAromaticRings: 0

Unique Aglycone
AD05107
Formula: C29H44O3

Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.83
AlogP: 6.76 Num_rotatable_bonds: 1
MolWt: 440.67 Num_heavy_atoms: 32
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD05989

CC1OC(OC2C(O)C(CO)OC(OC3C(O)C(C)OC(OC4C(O)OCC(O)C4O)C3O)C2O)C(O)C(O)C1O